TAMOXIFEN CITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 7FRV7310N6
EPA CompTox DTXSID8021301
Parent Compound: TAMOXIFEN

Structure

InChI Key FQZYTYWMLGAPFJ-OQKDUQJOSA-N
Smiles CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H37NO8
Molecular Weight 563.65
AlogP 6.0
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor alpha modulator MODULATOR PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- 5 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 80.91-108.56
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 80.91-108.56
Homo sapiens
- 5-796 - - -
Rattus norvegicus
- - - - 62.8

Target Conservation

Protein: Estrogen receptor alpha
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831

Cross References

Resources Reference
ChEBI 9397
ChEMBL CHEMBL786
FDA SRS 7FRV7310N6
Guide to Pharmacology 1016
KEGG C07108
PDB CTX
PubChem 2733525
SureChEMBL SCHEMBL6365
ZINC ZINC01530689
CONTENTS